N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide

C20H22FN3O2 — CID 108985263

IUPACN-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22FN3O2/c21-18-6-2-1-5-15(18)11-12-22-19(25)20(26)23-16-7-9-17(10-8-16)24-13-3-4-14-24/h1-2,5-10H,3-4,11-14H2,(H,22,25)(H,23,26)
InChIKeyKHEMCMMKIWTPOU-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide

N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 108985263) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID108985263
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESO=C(NCCc1ccccc1F)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H22FN3O2/c21-18-6-2-1-5-15(18)11-12-22-19(25)20(26)23-16-7-9-17(10-8-16)24-13-3-4-14-24/h1-2,5-10H,3-4,11-14H2,(H,22,25)(H,23,26)
InChIKeyKHEMCMMKIWTPOU-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 109000353
N'-(2,6-difluorophenyl)-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189825
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113107426

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide (CID 108985263) is N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide is O=C(NCCc1ccccc1F)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is KHEMCMMKIWTPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-18-6-2-1-5-15(18)11-12-22-19(25)20(26)23-16-7-9-17(10-8-16)24-13-3-4-14-24/h1-2,5-10H,3-4,11-14H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide?
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 355.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108985263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).